Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance

2021 ◽  
Author(s):  
Jatinder Singh ◽  
Richard J. Staples ◽  
Jean’ne M. Shreeve
Keyword(s):  
Pyrazole Ring ◽  
Energy Stability

Synthesis and Antibacterial / Anticancer Activities of Compounds Containing Pyrazole Ring Linked to Piperazines

2020 ◽  
Vol 16 (4) ◽  
pp. 419-431
Author(s):  
Kishore K. Valluri ◽  
Tejeswara R. Allaka ◽  
IV Kasi Viswanath ◽  
Nagaraju PVVS
Keyword(s):  
Cell Line ◽  
Cancer Cell ◽  
Anticancer Agents ◽  
Cancer Cell Line ◽  
Pyrazole Ring ◽  
Therapeutic Effects ◽  
Anticancer Activities ◽  
Human Colon Cancer ◽  
Parent Molecule ◽  
Wide Range

Background: Many pyrazole piperazine derivatives are known to exhibit a wide range, thus being attractive for the drug design and synthesis of interesting class of widely studied heterocyclic compounds. It is therefore necessary to devote continuing effort for the identification and development of New Chemical Entities (NCEs) as potential antibacterial and anticancer agents to address serious health problems. Methods: A series of new compounds containing pyrazole ring linked to a piperazine hydrochloride moiety were synthesized and screened for their antibacterial activity, cytotoxicity of novel scaffolds are described by variation in therapeutic effects of parent molecule. The structure variants were characterized by using a blend of spectroscopic 1H NMR, 13C NMR, IR, Mass and chromatographic techniques. Results: When tested for in vitro antibacterial and anticancer activities, several of these compounds showed good activities. The target compounds 9b, 9a and 9e exhibited a high degree of anticancer activity against human colon cancer cell line Caco-2 and human breast cancer cell line MDAMB231. Further, 9a, 9b, 9d, and 9h showed better activity towards four medically relevant organisms; Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Klebsiella Species compared to CPF. In the present investigation, cheminfomatics tools Molinspiration, 2003 and MolSoft, 2007 for the prediction of insilico molecular properties and drug likeness for the target compounds 9a-h was evaluated and positive results were observed. Conclusion: Our study revealed that the molecular framework presented here could be a useful template for the identification of novel small molecules as promising antibacterial/ anticancer agents.

scholarly journals Crystal structure of (Z)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(p-tolyl)methylidene]-1H-pyrazol-5(4H)-one

2014 ◽  
Vol 70 (9) ◽  
pp. o955-o956 ◽  
Author(s):  
Naresh Sharma ◽  
Sanjay Parihar ◽  
R. N. Jadeja ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Carbonyl Oxygen ◽  
Ring System ◽  
Dimensional Structure ◽  
Naphthalene Ring ◽  
Compound C ◽  
Schiff Base Compound ◽  
Base Compound

The title Schiff base compound, C28H21Cl2N3O, was synthesized by the condensation of 1-(3,4-dichlorophenyl)-3-methyl-4-(4-methylbenzoyl)-1H-pyrazol-5(4H)-one with 1-aminonaphthalene. Thep-tolyl ring is normal to the pyrazole ring, with a dihedral angle of 88.02 (14)°, and inclined to the naphthalene ring system by 78.60 (12)°. The pyrazole ring is inclined to the naphthalene ring system and the dichloro-substituted benzene ring by 63.30 (12) and 11.03 (13)°, respectively. The amino group and carbonyl oxygen atom are involved in an intramolecular N—H...O hydrogen bond enclosing anS(6) ring motif. There is also a short C—H...O contact involving the carbonyl O atom and the adjacent benzene ring. In the crystal, molecules are linked by C—H...π interactions, forming a three-dimensional structure.

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

On the energy stability of carbon nanoclusters

2001 ◽  
Vol 43 (5) ◽  
pp. 963-966 ◽  
Author(s):  
S. V. Kozyrev ◽  
D. V. Leshchev ◽  
I. V. Shakleina
Keyword(s):  
Energy Stability ◽  
Carbon Nanoclusters

Synthesis and Spectroscopic Properties of Novel Fluorescent Compounds Containing Bis-pyrazole Ring

2014 ◽  
Vol 24 (4) ◽  
pp. 1149-1157 ◽  
Author(s):  
Tiegang Ren ◽  
Jie Wang ◽  
Guihui Li ◽  
Yongzhe Li
Keyword(s):  
Pyrazole Ring ◽  
Spectroscopic Properties ◽  
Fluorescent Compounds
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